Home Other Building Blocks 3-(Dicyanomethylidene)indan-1-one

3-(Dicyanomethylidene)indan-1-one

CAS No.:
1080-74-6
Catalog Number:
AG0033GU
Molecular Formula:
C12H6N2O
Molecular Weight:
194.1888
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$94
- +
1g
95%
In Stock USA
United States
$283
- +
5g
95%
In Stock USA
United States
$916
- +
Product Description
Catalog Number:
AG0033GU
Chemical Name:
3-(Dicyanomethylidene)indan-1-one
CAS Number:
1080-74-6
Molecular Formula:
C12H6N2O
Molecular Weight:
194.1888
MDL Number:
MFCD00143117
IUPAC Name:
2-(3-oxoinden-1-ylidene)propanedinitrile
InChI:
InChI=1S/C12H6N2O/c13-6-8(7-14)11-5-12(15)10-4-2-1-3-9(10)11/h1-4H,5H2
InChI Key:
QNVKZKOSAXYVFZ-UHFFFAOYSA-N
SMILES:
N#CC(=C1CC(=O)c2c1cccc2)C#N
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.193g/mol
Monoisotopic Mass:
194.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties